Cas no 98534-26-0 (1H-Pyrazole-4-carboxamide,1-(4-chlorophenyl)-N-cyclopropyl-5-(trifluoromethyl)-)
98534-26-0 structure
Product Name:1H-Pyrazole-4-carboxamide,1-(4-chlorophenyl)-N-cyclopropyl-5-(trifluoromethyl)-
CAS No:98534-26-0
MF:C14H11ClF3N3O
MW:329.704852342606
CID:816904
PubChem ID:176739
Update Time:2025-04-19
1H-Pyrazole-4-carboxamide,1-(4-chlorophenyl)-N-cyclopropyl-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxamide,1-(4-chlorophenyl)-N-cyclopropyl-5-(trifluoromethyl)-
- 1-(4-chlorophenyl)-N-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide
- 1H-Pyrazole-4-carboxamide, 1-(4-chlorophenyl)-N-cyclopropyl-5-(trifluoromethyl)-
- IDI1_012808
- SCHEMBL10366974
- 98534-26-0
- Maybridge3_001421
- DTXSID20243674
- HMS1435A13
- LUFFIADXBVDRJZ-UHFFFAOYSA-N
-
- Inchi： 1S/C14H11ClF3N3O/c15-8-1-5-10(6-2-8)21-12(14(16,17)18)11(7-19-21)13(22)20-9-3-4-9/h1-2,5-7,9H,3-4H2,(H,20,22)
- InChI Key： LUFFIADXBVDRJZ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)N1C(C(F)(F)F)=C(C=N1)C(NC1CC1)=O
Computed Properties
- Exact Mass: 329.054
- Monoisotopic Mass: 329.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 422
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 46.9?2
Experimental Properties
- Density: 1.54
- Boiling Point: 450.8°Cat760mmHg
- Flash Point: 226.4°C
- Refractive Index: 1.621
1H-Pyrazole-4-carboxamide,1-(4-chlorophenyl)-N-cyclopropyl-5-(trifluoromethyl)- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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